Asoprisnil ecamate
TL;DR: Asoprisnil ecamate (CAS 163883-88-3) is a chemical compound with molecular formula C31H40N2O5 and molecular weight 520.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-[4-[(8S,11R,13S,14S,17S)-17-methoxy-17-(methoxymethyl)-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]phenyl]methylideneamino] N-ethylcarbamate
Also Known As: Asoprisnil ecamate, Carbamate J-956, Asoprisnil ecamate [INN], Ecamate d'asoprisnil, CARBAMAT J-956
| Molecular Formula | C31H40N2O5 |
|---|---|
| Molecular Weight | 520.29 g/mol |
| LogP | 5.6977 |
| Topological Polar Surface Area | 86.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 520.2937 |
| Heavy Atoms | 38 |
| Complexity | 1169.2148 |
Chemical Identifiers
| CAS Number | 163883-88-3 |
|---|---|
| SMILES | CCNC(=O)O/N=C/C1=CC=C(C=C1)[C@H]2C[C@]3([C@@H](CC[C@]3(COC)OC)[C@H]4C2=C5CCC(=O)C=C5CC4)C |
Product Overview
Asoprisnil ecamate (CAS 163883-88-3), with molecular formula C31H40N2O5 and molecular weight 520.29 g/mol. IUPAC: [(E)-[4-[(8S,11R,13S,14S,17S)-17-methoxy-17-(methoxymethyl)-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]phenyl]methylideneamino] N-ethylcarbamate.
Chemical Property Profile of Asoprisnil ecamate
Property Insights of Asoprisnil ecamate
The XLogP value of 5.6977 indicates that Asoprisnil ecamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.22 Ų falls within the moderate polarity range, balancing permeability and solubility for Asoprisnil ecamate. Following Lipinski's Rule of Five, Asoprisnil ecamate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Asoprisnil ecamate?
The CAS number of Asoprisnil ecamate is 163883-88-3.
What is the molecular formula of Asoprisnil ecamate?
The molecular formula of Asoprisnil ecamate is C31H40N2O5.
What is the molecular weight of Asoprisnil ecamate?
The molecular weight of Asoprisnil ecamate is 520.29 g/mol.
Where can I buy Asoprisnil ecamate?
You can request a quote for Asoprisnil ecamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Asoprisnil ecamate?
Yes, KEHONG BIO provides custom synthesis services for Asoprisnil ecamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.